2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)

C138H234N22O9S7 — CID 159120450

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)

2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole) (PubChem CID 159120450) has the molecular formula C138H234N22O9S7 and a molecular weight of 2570.00 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole).

Molecular Properties

• Compound Name: 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)
• PubChem CID: 159120450
• Molecular Formula: C138H234N22O9S7
• Molecular Weight: 2570.00 g/mol
• Exact Mass: 2567.66
• IUPAC Name: 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)
• SMILES: CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cc(C(C)C)sn1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
• InChI: InChI=1S/6C9H15NO.4C9H15NS.3C8H14N2O.3C8H14N2S/c2*1-6(2)8-5-11-9(10-8)7(3)4;4*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h10*5-7H,1-4H3;6*5-6H,1-4H3
• InChIKey: KFQAYLXRASTTMS-UHFFFAOYSA-N
• XLogP: 46.39
• TPSA: 401.84 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.00
LogP ≤ 5	46.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)?

The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole) (CID 159120450) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole).

What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)?

The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole) is CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cc(C(C)C)sn1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.

What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)?

The InChIKey is KFQAYLXRASTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H15NO.4C9H15NS.3C8H14N2O.3C8H14N2S/c2*1-6(2)8-5-11-9(10-8)7(3)4;4*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h10*5-7H,1-4H3;6*5-6H,1-4H3.

What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)?

2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole) has a molecular weight of 2570.00 g/mol, XLogP of 46.39, 32 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole) is sourced from PubChem (CID 159120450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).